Unravelling the selective transport of Co 2+ and Hg 2+ ions through functionalized graphene nanostructures from aqueous nitrate solution: a molecular dynamics simulation study
Abstract
ions demonstrate higher permeation efficiency in Cl-functionalized pores. These findings provide a fundamental molecular-level understanding of how functional group chemistry and applied electric fields modulate ion selectivity and transport energetics in GRA-based membranes with tailored pore diameters, offering predictive insights for the rational design of next-generation nanofiltration and electroseparation systems.
Fields of Study & Subjects
Nanopore and Nanochannel Transport Studies
Graphene research and applications
Molecular Sensors and Ion Detection
Publication details
- Journal / source
- RSC Advances
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 16
- Issue
- 26
- Pages
- 24040–24054
- Publication date
- 1 January 2026
- Language
- EN